Dataset

Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS040201 contains the MS2 mass spectrum of Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol with the InChIkey IYRMWMYZSQPJKC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI Key IYRMWMYZSQPJKC-UHFFFAOYSA-N
Molecular Formula C15H10O6
Exact Mass 286.239 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS040201
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:16:20.841909
MetadataModified 2025-02-09T19:17:02.732142
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
7628 Brenda
408 Brenda
HMDB0005801 Human Metabolome Database
CB5223176 ChemicalBook
ZINC000003869768 ZINC
MTBLC28499 Metabolights
62438 Brenda
35794 Brenda
SCHEMBL18817 SureChEMBL
5280863 PubChem
PD000231 ProbesDrugs
14751111 PubChem: Thomson Pharma
520-18-3 ACToR
Kaempferol Selleck
LSM-5304 LINCS
524531 eMolecules
EJEPOA CCDC
J1.575J Nikkaji
LMPK12110003 LipidMaps
DTXSID7020768 EPA CompTox Dashboard
43511 Brenda
243651 Brenda
HY-14590 MedChemExpress
11052 Guide to Pharmacology
60005037 NMRShiftDB
7462 BindingDB
MCULE-8965218413 Mcule
731P2LE49E FDA SRS
DB01852 DrugBank
56310599 PubChem: Drugs of the Future
CHEMBL150 ChEMBL
KMP PDBe
28499 ChEBI
C05903 KEGG Ligand
The data in this table is sourced from UniChem at EBI.